Geometry & MOs

Info

ID:

299178

PubChem CID:

117674072

Reduced:

N4O6C33H40 (1)

Stoich.:

A4B6C33D40 (1)

Weight, g/mol:

551.209007

ΔHf, kcal/mol:

-192.86

Dipole, Da:

8.78

IP(EA), eV:

 -8.7(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[3-[6-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]hexoxy]phenyl]-thiophen-3-ylmethyl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN(C2=CC(=CC=C2)OCCCCCCCCCNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)C(=O)O

DOS

IR

Vibrations